Chemical Properties of Furalaxyl (CAS 57646-30-7)

Furalaxyl

InChI
InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
InChI Key
CIEXPHRYOLIQQD-UHFFFAOYSA-N
Formula
C17H19NO4
SMILES
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C
Molecular Weight1
301.34
CAS
57646-30-7
Other Names
  • DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-, methyl ester
  • CGA-38140
  • Fonganil
  • Fongarid
  • Methyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-dl-alanine
  • Alanine, N-(2-furoyl)-N-(2,6-xylyl)-, methyl ester, dl-
  • A 5430
  • Fongaride
  • methyl N-(2,6-dimethylphenyl)-N-(2-furylcarbonyl)-DL-alaninate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -494.17 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 94.71 kJ/mol Relay (1.0) Calculated Property
IE 7.98 eV Relay (1.0) Calculated Property
log10WS -3.06 Relay (1.0) Calculated Property
logPoct/wat 3.105 Crippen Calculated Property
McVol 232.030 ml/mol McGowan Calculated Property
Tboil 624.36 K Relay (1.0) Calculated Property
Tfus 356.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Benazepril Me. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cyclomegistine. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine. Noscapine. Butorphanol di-TMS derivative. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. HEPTAFLUOROBUTYRYL-CODEINE. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. OXYCOLCHICINE. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Neopine.

Find more compounds similar to Furalaxyl.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.